Geometry & MOs

Info

ID:	293040
PubChem CID:	117370847
Reduced:	NSO2C13H13 (1)
Stoich.:	ABC2D13E13 (1)
Weight, g/mol:	247.077933
ΔH_f, kcal/mol:	-39.28
Dipole, Da:	5.9
IP(EA), eV:	-9.39(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(3,4-dihydro-2H-thiochromen-5-yl)-1,2,4-oxadiazol-5-yl]methanamine

Drug info:

PubChemData

Smile

CC1=NC2=C(C=CC=C2S1)C3(CC3)CC(=O)O

DOS

IR

Vibrations